3-Fluoro-4-methoxybenzonitrile Chemical Properties

Melting point:

97-101 °C

Boiling point:

96-98°C/1mm

Density 

1.18±0.1 g/cm3(Predicted)

Flash point:

96-98°C/1mm

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

color 

White to Almost white

InChIKey

FEEOVAOEPGQDTJ-UHFFFAOYSA-N

CAS DataBase Reference

331-62-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

23-36/37/39-36-26

RIDADR 

3439

WGK Germany 

3

Hazard Note 

Toxic

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

3-Fluoro-4-methoxybenzonitrile Usage And Synthesis

Chemical Properties

Colorless solid

Synthesis

General procedure for the synthesis of 3-fluoro-4-methoxybenzonitrile from 2-fluoro-4-bromoanisole: 20 g of 2-fluoro-4-bromoanisole and 9.8 g of copper cyanide were dissolved in 100 mL of dimethylformamide, and the reaction was carried out at reflux with heat for 10 hours. Upon completion of the reaction, an aqueous solution of 20 g of ferric chloride dissolved in 100 mL of water was added to the reaction mixture. The reaction mixture was cooled to room temperature and the target product was extracted with toluene. The organic layer was washed sequentially with water, saturated aqueous sodium carbonate solution and saturated aqueous table salt solution. After separation of the organic layer, the extract was dried with anhydrous sodium sulfate, followed by distillation to remove the solvent. The crude product was purified by silica gel column chromatography (unfolding reagent ratio hexane:ethyl acetate=10:1) and further recrystallized with ethanol. Finally 10.0 g of 3-fluoro-4-methoxybenzonitrile was obtained in 68% yield.

References

[1] Patent: US4997942, 1991, A

3-Fluoro-4-methoxybenzonitrile(331-62-4)Related Product Information

• Anisonitrile
• p-Anisidine
• 4-Methoxyphenylacetic acid
• 4-Nitrobenzonitrile
• p-Tolunitrile
• p-Anisaldehyde
• 4-Methoxybenzoic acid
• (Trifluoromethoxy)benzene
• 2-Cyanophenol
• m-Anisyl alcohol
• o-Anisaldehyde
• Benzonitrile
• Anisole
• 4-Methoxybenzyl cyanide
• 3-Fluoro-4-methylbenzonitrile
• 4-(Trifluoromethoxy)aniline
• 3-Methoxybenzaldehyde
• Fluorine